a 3-O-{N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-alpha-D-galactosaminyl}-L-serine residue

Properties Image MNX_ID MNXM1133329 reference chebi:156397 formula C39H60N4O28*2 global charge -2 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CO[C@H]1O[C@H](CO[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H]1NC(C)=O)C([*])=O MNX internals InChI (mnx) InChI=1/C41H68N4O28/c1-13(49)17(42-5)11-66-36-26(45-16(4)52)32(30(60)23(69-36)12-67-40(38(62)63)6-18(53)24(43-14(2)50)33(71-40)27(57)20(55)8-46)70-37-31(61)35(29(59)22(10-48)68-37)73-41(39(64)65)7-19(54)25(44-15(3)51)34(72-41)28(58)21(56)9-47/h17-37,42,46-48,53-61H,6-12H2,1-5H3,(H,43,50)(H,44,51)(H,45,52)(H,62,63)(H,64,65)/t17-,18-,19-,20+,21+,22+,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33+,34+,35-,36-,37-,40+,41-/m0/s1/i1+1,5+1 SMILES (mnx) [13CH3:1][C:13]([C@H:17]([CH2:11][O:66][C@@H:36]1[C@H:26]([N:45]=[C:16]([CH3:4])[OH:52])[C@@H:32]([O:70][C@H:37]2[C@H:31]([OH:61])[C@@H:35]([O:73][C@:41]3([C:39](=[O:64])[OH:65])[CH2:7][C@H:19]([OH:54])[C@@H:25]([N:44]=[C:15]([CH3:3])[OH:51])[C@H:34]([C@@H:28]([C@@H:21]([CH2:9][OH:47])[OH:56])[OH:58])[O:72]3)[C@@H:29]([OH:59])[C@@H:22]([CH2:10][OH:48])[O:68]2)[C@@H:30]([OH:60])[C@@H:23]([CH2:12][O:67][C@:40]2([C:38](=[O:62])[OH:63])[CH2:6][C@H:18]([OH:53])[C@@H:24]([N:43]=[C:14]([CH3:2])[OH:50])[C@H:33]([C@@H:27]([C@@H:20]([CH2:8][OH:46])[OH:55])[OH:57])[O:71]2)[O:69]1)[NH:42][13CH3:5])=[O:49]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0